Acetic acid
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
- IUPAC Standard InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
- CAS Registry Number: 64-19-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: Ethanoic acid; Ethylic acid; Glacial acetic acid; Methanecarboxylic acid; Vinegar acid; CH3COOH; Acetasol; Acide acetique; Acido acetico; Azijnzuur; Essigsaeure; Octowy kwas; Acetic acid, glacial; Kyselina octova; UN 2789; Aci-jel; Shotgun; Ethanoic acid monomer; NSC 132953
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IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (15 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, 10% IN CCl4 FOR 650-250 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | Briegleb and Strohmeier, 1946 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 2843 |
| Instrument | n.i.g. |
| Sample temp. (C) | 210 |
| Sample pressure | 309 mm Hg |
| Melting point | 16.6 |
| Boiling point | 117.9 |
Vibrational and/or electronic energy levels
Go To: Top, IR Spectrum, UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | OH str | 3583 | B | 3583 M | gas | ||||
| a' | 2 | CH3 d-str | 3051 | B | 3051 VW | gas | ||||
| a' | 3 | CH3 s-str | 2944 | B | 2944 VW | gas | ||||
| a' | 4 | C=O str | 1788 | B | 1788 VS | gas | ||||
| a' | 5 | CH3 d-deform | 1430 | C | 1430 sh | gas | SF(ν14) | |||
| a' | 6 | CH3 s-deform | 1382 | B | 1382 M | gas | ||||
| a' | 7 | OH bend | 1264 | B | 1264 M | gas | ||||
| a' | 8 | C-O str | 1182 | B | 1182 S | gas | ||||
| a' | 9 | CH3 rock | 989 | B | 989 M | gas | ||||
| a' | 10 | CC str | 847 | B | 847 W | gas | ||||
| a' | 11 | OCO deform | 657 | B | 657 S | gas | ||||
| a' | 12 | CCO deform | 581 | B | 581 M | gas | ||||
| a | 13 | CH3 d-str | 2996 | B | 2996 VW | gas | ||||
| a | 14 | CH3 d-deform | 1430 | C | 1430 sh | gas | SF(ν5) | |||
| a | 15 | CH3 rock | 1048 | B | 1048 W | gas | ||||
| a | 16 | C=O op-bend | 642 | B | 642 S | gas | ||||
| a | 17 | C-O torsion | 534 | B | 534 M | gas | ||||
| a | 18 | CH3 torsion | 93 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| sh | Shoulder |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Briegleb and Strohmeier, 1946
Briegleb, G.; Strohmeier, W.,
Einfluss einer Wasserstoff-Bruckenbindung auf die lichtabsorption der COOH-Gruppe,
Naturwissenschaften, 1946, 33, 344-345. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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